CID 140824257

C40H30N2Pt — CID 140824257

IUPAC—
SMILESCC1(C)c2ccccc2C2(c3cccc(n3)-c3[c-]c(ccc3)CCc3[c-]c(ccc3)-c3cccc2n3)c2ccccc21.[Pt+2]
InChIInChI=1S/C40H30N2.Pt/c1-39(2)31-15-3-5-17-33(31)40(34-18-6-4-16-32(34)39)37-21-9-19-35(41-37)29-13-7-11-27(25-29)23-24-28-12-8-14-30(26-28)36-20-10-22-38(40)42-36;/h3-22H,23-24H2,1-2H3;/q-2;+2
InChIKeyJNOXYTZOKJYNMU-UHFFFAOYSA-N
MW733.77 g/mol
LogP8.53
Rot. Bonds

About CID 140824257

CID 140824257 (PubChem CID 140824257) has the molecular formula C40H30N2Pt and a molecular weight of 733.77 g/mol.

Molecular Properties

Compound NameCID 140824257
PubChem CID140824257
Molecular FormulaC40H30N2Pt
Molecular Weight733.77 g/mol
Exact Mass733.21
IUPAC Name—
SMILESCC1(C)c2ccccc2C2(c3cccc(n3)-c3[c-]c(ccc3)CCc3[c-]c(ccc3)-c3cccc2n3)c2ccccc21.[Pt+2]
InChIInChI=1S/C40H30N2.Pt/c1-39(2)31-15-3-5-17-33(31)40(34-18-6-4-16-32(34)39)37-21-9-19-35(41-37)29-13-7-11-27(25-29)23-24-28-12-8-14-30(26-28)36-20-10-22-38(40)42-36;/h3-22H,23-24H2,1-2H3;/q-2;+2
InChIKeyJNOXYTZOKJYNMU-UHFFFAOYSA-N
XLogP8.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.77
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 140824257?
The IUPAC name of CID 140824257 (CID 140824257) is not available.
What is the SMILES notation for CID 140824257?
The canonical SMILES for CID 140824257 is CC1(C)c2ccccc2C2(c3cccc(n3)-c3[c-]c(ccc3)CCc3[c-]c(ccc3)-c3cccc2n3)c2ccccc21.[Pt+2].
What is the InChIKey of CID 140824257?
The InChIKey is JNOXYTZOKJYNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N2.Pt/c1-39(2)31-15-3-5-17-33(31)40(34-18-6-4-16-32(34)39)37-21-9-19-35(41-37)29-13-7-11-27(25-29)23-24-28-12-8-14-30(26-28)36-20-10-22-38(40)42-36;/h3-22H,23-24H2,1-2H3;/q-2;+2.
What are the key properties of CID 140824257?
CID 140824257 has a molecular weight of 733.77 g/mol, XLogP of 8.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140824257 is sourced from PubChem (CID 140824257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).